(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide

C16H24N2O3S — CID 124505456

IUPAC(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESC[C@@H](CC1CCCC1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(10-13-4-2-3-5-13)16(19)18-15-8-6-14(7-9-15)11-22(17,20)21/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1
InChIKeyFDKHTLORBLNNHI-LBPRGKRZSA-N
MW324.45 g/mol
LogP2.63
Rot. Bonds6

About (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide

(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide (PubChem CID 124505456) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
PubChem CID124505456
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESC[C@@H](CC1CCCC1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(10-13-4-2-3-5-13)16(19)18-15-8-6-14(7-9-15)11-22(17,20)21/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1
InChIKeyFDKHTLORBLNNHI-LBPRGKRZSA-N
XLogP2.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 116675714
2-methyl-3-oxo-3-[4-(sulfamoylmethyl)anilino]propanoic acid
CID 114898086
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 60867551
2-[4-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-fluorophenyl]acetic acid
CID 122109861
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
2-(cyclopropylmethylamino)-N-[4-(sulfamoylmethyl)phenyl]acetamide;hydrochloride
CID 119701886
2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
CID 138033236
4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672451
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide (CID 124505456) is (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide is C[C@@H](CC1CCCC1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1.
What is the InChIKey of (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The InChIKey is FDKHTLORBLNNHI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(10-13-4-2-3-5-13)16(19)18-15-8-6-14(7-9-15)11-22(17,20)21/h6-9,12-13H,2-5,10-11H2,1H3,(H,18,19)(H2,17,20,21)/t12-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide is sourced from PubChem (CID 124505456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).